7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide

C18H21FN4O — CID 58146802

IUPAC7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)N=CC2
InChIInChI=1S/C18H21FN4O/c19-18-5-9-3-10(6-18)14(11(4-9)7-18)23-15-12(17(20)24)8-22-13-1-2-21-16(13)15/h2,8-11,14H,1,3-7H2,(H2,20,24)(H,22,23)
InChIKeyCIAHMNJJWUUFQT-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.77
Rot. Bonds3

About 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide

7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 58146802) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID58146802
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)N=CC2
InChIInChI=1S/C18H21FN4O/c19-18-5-9-3-10(6-18)14(11(4-9)7-18)23-15-12(17(20)24)8-22-13-1-2-21-16(13)15/h2,8-11,14H,1,3-7H2,(H2,20,24)(H,22,23)
InChIKeyCIAHMNJJWUUFQT-UHFFFAOYSA-N
XLogP2.77
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 58146765
7-[[(1R,3S)-5-bromo-2-adamantyl]amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 58146642
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 76659220
4-[[(1R,3S)-5-bromo-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146299
4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146810
4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 164744203
4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 123749490
1-tert-butyl-N-(5-fluoro-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972818
4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 66924315
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
CID 67371527
6-[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]-4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]pyridine-3-carboxamide
CID 67371262

Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide (CID 58146802) is 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide is NC(=O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)N=CC2.
What is the InChIKey of 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is CIAHMNJJWUUFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-18-5-9-3-10(6-18)14(11(4-9)7-18)23-15-12(17(20)24)8-22-13-1-2-21-16(13)15/h2,8-11,14H,1,3-7H2,(H2,20,24)(H,22,23).
What are the key properties of 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 58146802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).